sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1gz4 | ATP | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1gz4 | ATP | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 1.000 | |
| 1pj3 | NAD | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.610 | |
| 1pj4 | ATP | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.604 | |
| 1do8 | NAD | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.601 | |
| 1efk | NAD | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.581 | |
| 1efl | NAD | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.545 | |
| 1pj2 | NAI | NAD-dependent malic enzyme, mitochondrial | 1.1.1.38 | 0.523 | |
| 1gq2 | NAP | NADP-dependent malic enzyme | 1.1.1.40 | 0.491 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.461 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.461 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.460 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.458 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.457 | |
| 2dbr | NAP | Glyoxylate reductase | 1.1.1.26 | 0.457 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.456 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.455 | |
| 3jv7 | NAD | Secondary alcohol dehydrogenase | / | 0.450 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.449 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.448 | |
| 4oaq | NDP | R-specific carbonyl reductase | / | 0.447 | |
| 1hdz | NAD | Alcohol dehydrogenase 1B | 1.1.1.1 | 0.446 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.446 | |
| 1adb | CND | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.445 | |
| 1wvg | APR | CDP-glucose 4,6-dehydratase | 4.2.1.45 | 0.445 | |
| 1a71 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.444 | |
| 1nq5 | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.444 | |
| 1nyt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.444 | |
| 1p0f | NAP | NADP-dependent alcohol dehydrogenase | 1.1.1.2 | 0.443 | |
| 3bmo | NAP | Pteridine reductase | / | 0.443 | |
| 1nvt | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.442 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.442 | |
| 1glb | ADP | Glycerol kinase | / | 0.441 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1pzf | A3D | Lactate dehydrogenase | / | 0.441 | |
| 2ohx | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 |